#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k85 n MET 558 N 0.00 -6.31 -1.45 -0.41 0.00 -1.26 -4.84 117.12 102.85 1k85 n MET 558 Ca 0.00 0.67 -0.35 0.00 -0.00 0.00 0.00 57.70 58.02 1k85 n MET 558 Cb 0.00 -5.61 0.10 0.00 0.00 0.00 0.00 33.22 27.70 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k85 s ALA 559 N -3.32 2.13 1.00 -5.12 0.00 -1.26 -4.98 121.76 110.20 1k85 s ALA 559 Ca 0.61 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1k85 s ALA 559 Cb -0.29 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1k85 s ALA 559 CO 0.80 -1.91 0.00 -0.35 0.00 0.00 0.00 175.76 174.29 1k85 n PRO 560 N -2.57 -1.11 -3.00 0.00 -0.04 -1.26 -4.88 135.00 122.14 1k85 n PRO 560 Ca 0.15 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 1k85 n PRO 560 Cb 0.49 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.90 1k85 n PRO 560 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1k85 s THR 561 N -0.98 4.91 0.17 0.52 2.01 -1.26 -4.48 115.64 116.53 1k85 s THR 561 Ca 0.00 1.36 -0.32 0.00 0.31 0.00 0.00 61.69 63.05 1k85 s THR 561 Cb 0.00 -4.03 -0.10 0.00 0.01 0.00 0.00 72.50 68.38 1k85 s THR 561 CO 0.00 -0.02 1.62 0.00 -0.69 0.00 0.00 174.62 175.53 1k85 s ALA 562 N 2.63 3.82 0.98 7.40 0.00 -1.26 -4.60 121.76 130.72 1k85 s ALA 562 Ca 0.31 1.42 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 1k85 s ALA 562 Cb -0.15 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1k85 s ALA 562 CO 0.08 -0.85 -0.06 -2.30 0.00 0.00 0.00 175.76 172.63 1k85 n PRO 563 N 4.13 -0.24 -3.98 0.00 -0.02 -1.26 -4.92 135.00 128.71 1k85 n PRO 563 Ca 0.15 -0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.49 1k85 n PRO 563 Cb 0.38 -1.55 -0.08 0.00 -0.02 0.00 0.00 33.50 32.23 1k85 n PRO 563 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1k85 s THR 564 N -2.25 0.10 -1.60 3.45 -1.32 -1.24 -4.23 115.64 108.55 1k85 s THR 564 Ca 0.51 -1.47 -0.04 0.00 -1.21 0.00 0.00 61.69 59.48 1k85 s THR 564 Cb -0.19 -1.74 0.01 0.00 -1.51 0.00 0.00 72.50 69.06 1k85 s THR 564 CO 0.73 -0.46 0.50 -3.20 -2.21 0.00 0.00 174.62 169.98 1k85 n ASN 565 N -0.13 -6.08 -4.66 8.08 5.15 -1.26 -1.59 115.26 114.77 1k85 n ASN 565 Ca -0.09 -0.24 -0.42 0.00 -0.60 0.00 0.00 54.58 53.22 1k85 n ASN 565 Cb 0.63 -4.94 -0.03 0.00 -0.53 0.00 0.00 39.78 34.91 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1k85 s LEU 566 N -6.58 4.35 0.01 1.20 1.98 -1.26 -4.55 118.68 113.83 1k85 s LEU 566 Ca 0.25 2.46 -0.11 0.00 -2.89 0.00 0.00 54.13 53.84 1k85 s LEU 566 Cb -0.11 -3.53 0.01 0.00 0.66 0.00 0.00 46.19 43.22 1k85 s LEU 566 CO 0.31 -1.04 0.23 0.00 -1.89 0.00 0.00 176.35 173.96 1k85 s ALA 567 N 4.46 -0.54 -0.04 5.97 0.00 -0.47 -4.78 121.76 126.36 1k85 s ALA 567 Ca 0.83 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 1k85 s ALA 567 Cb -0.38 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1k85 s ALA 567 CO 0.37 -0.30 0.39 -1.54 0.00 0.00 0.00 175.76 174.68 1k85 s SER 568 N -1.67 6.73 0.00 0.00 1.04 -1.26 -1.05 113.70 117.49 1k85 s SER 568 Ca -0.10 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1k85 s SER 568 Cb -0.04 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1k85 s SER 568 CO 0.00 0.27 0.00 0.35 0.98 0.00 0.00 173.24 174.84 1k85 n THR 569 N 2.23 0.00 -3.04 2.02 -2.24 -0.82 -4.95 114.28 107.48 1k85 n THR 569 Ca -0.13 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 1k85 n THR 569 Cb 0.52 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 1k85 n THR 569 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 570 N -3.42 3.31 -0.06 6.98 0.00 -1.25 -4.96 121.76 122.36 1k85 s ALA 570 Ca 0.00 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.74 1k85 s ALA 570 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1k85 s ALA 570 CO 0.00 -1.97 -0.21 -1.14 0.00 0.00 0.00 175.76 172.44 1k85 s GLN 571 N 3.09 2.22 0.00 0.00 0.74 -1.26 -0.74 119.66 123.71 1k85 s GLN 571 Ca 0.24 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1k85 s GLN 571 Cb -0.14 -1.87 0.00 0.00 1.10 0.00 0.00 33.01 32.09 1k85 s GLN 571 CO 0.19 0.29 0.00 0.25 -0.55 0.00 0.00 175.29 175.46 1k85 n THR 572 N 3.13 0.00 0.80 -0.34 -2.24 -0.24 -5.00 114.28 110.39 1k85 n THR 572 Ca -0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1k85 n THR 572 Cb 0.52 -0.41 0.15 0.00 -2.10 0.00 0.00 70.33 68.49 1k85 n THR 572 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k85 n THR 573 N 0.00 0.12 0.00 4.28 -2.24 -1.26 -4.58 114.28 110.60 1k85 n THR 573 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1k85 n THR 573 Cb 0.00 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1k85 n THR 573 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k85 n SER 574 N -1.75 0.96 -4.98 3.42 3.41 -1.26 -3.85 113.62 109.57 1k85 n SER 574 Ca 0.04 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.47 1k85 n SER 574 Cb 0.38 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1k85 n SER 574 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k85 s SER 575 N -4.21 5.48 -0.14 4.04 1.04 -1.26 -3.10 113.70 115.55 1k85 s SER 575 Ca 0.00 -0.53 -0.29 0.00 0.48 0.00 0.00 55.95 55.61 1k85 s SER 575 Cb 0.00 -0.55 0.07 0.00 0.10 0.00 0.00 66.02 65.64 1k85 s SER 575 CO 0.00 -0.79 0.71 -0.51 0.98 0.00 0.00 173.24 173.63 1k85 s ILE 576 N -2.40 0.00 -0.24 -1.02 2.07 -0.88 -1.08 121.20 117.65 1k85 s ILE 576 Ca 0.54 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.79 1k85 s ILE 576 Cb -0.08 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.55 1k85 s ILE 576 CO 0.32 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.35 1k85 s THR 577 N -0.60 2.38 -0.13 4.00 2.01 0.08 -1.90 115.64 121.47 1k85 s THR 577 Ca -0.07 -1.27 -0.06 0.00 0.31 0.00 0.00 61.69 60.60 1k85 s THR 577 Cb -0.02 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1k85 s THR 577 CO 0.06 0.18 0.10 -0.76 -0.69 0.00 0.00 174.62 173.51 1k85 s LEU 578 N 1.22 4.16 0.03 4.42 1.43 -0.40 -1.95 118.68 127.59 1k85 s LEU 578 Ca -0.03 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 1k85 s LEU 578 Cb -0.17 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1k85 s LEU 578 CO -0.07 0.35 -0.19 -0.94 0.23 0.00 0.00 176.35 175.73 1k85 s SER 579 N -0.69 2.30 0.26 2.29 1.04 -0.22 -1.72 113.70 116.96 1k85 s SER 579 Ca 0.13 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 1k85 s SER 579 Cb -0.12 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.81 1k85 s SER 579 CO 0.03 0.16 0.58 -1.66 0.98 0.00 0.00 173.24 173.32 1k85 s TRP 580 N -0.72 0.11 0.14 5.02 -2.14 -1.20 -1.37 118.94 118.78 1k85 s TRP 580 Ca 0.07 -0.51 -0.25 0.00 2.66 0.00 0.00 56.10 58.06 1k85 s TRP 580 Cb -0.08 0.41 -0.08 0.00 -3.10 0.00 0.00 33.47 30.62 1k85 s TRP 580 CO 0.01 -1.09 0.76 0.99 -2.66 0.00 0.00 176.95 174.96 1k85 s THR 581 N -3.97 4.45 1.24 0.66 2.01 -0.62 -4.90 115.64 114.50 1k85 s THR 581 Ca 0.17 1.65 -0.20 0.00 0.31 0.00 0.00 61.69 63.62 1k85 s THR 581 Cb -0.03 -4.12 0.30 0.00 0.01 0.00 0.00 72.50 68.67 1k85 s THR 581 CO 0.08 0.51 1.11 0.00 -0.69 0.00 0.00 174.62 175.62 1k85 s ALA 582 N -1.00 0.54 0.19 7.40 0.00 -1.26 -3.67 121.76 123.96 1k85 s ALA 582 Ca 0.35 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 1k85 s ALA 582 Cb -0.22 -2.85 -0.08 0.00 0.00 0.00 0.00 23.12 19.97 1k85 s ALA 582 CO 0.25 -3.73 0.91 0.45 0.00 0.00 0.00 175.76 173.65 1k85 s SER 583 N -3.96 7.55 0.00 0.00 0.15 -1.26 -4.77 113.70 111.41 1k85 s SER 583 Ca 0.72 1.84 0.22 0.00 0.70 0.00 0.00 55.95 59.43 1k85 s SER 583 Cb -0.08 -2.58 1.29 0.00 -1.71 0.00 0.00 66.02 62.94 1k85 s SER 583 CO 0.56 0.11 1.71 0.35 1.20 0.00 0.00 173.24 177.17 1k85 n THR 584 N 1.84 0.07 -0.01 6.45 -2.24 -1.26 -3.90 114.28 115.22 1k85 n THR 584 Ca -0.02 0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1k85 n THR 584 Cb 0.48 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 68.04 1k85 n THR 584 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k85 n ASP 585 N -1.06 0.45 -1.90 3.42 9.92 -1.26 -4.98 116.55 121.15 1k85 n ASP 585 Ca 0.16 0.07 -0.18 0.00 -0.53 0.00 0.00 54.79 54.31 1k85 n ASP 585 Cb 0.10 -0.44 -0.05 0.00 -0.64 0.00 0.00 41.12 40.09 1k85 n ASP 585 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1k85 n ASN 586 N -2.95 -4.86 -1.45 -2.24 5.15 -1.25 -4.82 115.26 102.84 1k85 n ASN 586 Ca -0.03 0.28 -0.07 0.00 -0.60 0.00 0.00 54.58 54.16 1k85 n ASN 586 Cb 0.10 -4.24 0.11 0.00 -0.53 0.00 0.00 39.78 35.22 1k85 n ASN 586 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1k85 n VAL 587 N -2.85 1.81 0.00 3.44 0.24 -1.26 -4.25 118.33 115.46 1k85 n VAL 587 Ca -0.19 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 1k85 n VAL 587 Cb 0.61 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k85 n GLY 588 N -0.10 0.00 3.75 7.63 0.00 -1.26 -5.10 105.19 110.11 1k85 n GLY 588 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1k85 n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k85 s VAL 589 N 0.00 2.81 0.06 1.61 1.01 -1.26 -2.19 120.40 122.43 1k85 s VAL 589 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1k85 s VAL 589 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1k85 s VAL 589 CO 0.00 -0.20 0.00 1.07 0.00 0.00 0.00 175.10 175.97 1k85 n THR 590 N -2.34 0.06 -4.41 3.92 5.66 -1.03 -4.84 114.28 111.30 1k85 n THR 590 Ca 0.12 0.02 -0.23 0.00 -3.05 0.00 0.00 64.05 60.91 1k85 n THR 590 Cb 0.51 -0.73 -0.08 0.00 -1.55 0.00 0.00 70.33 68.48 1k85 n THR 590 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1k85 s GLY 591 N -4.95 2.58 -0.07 1.09 0.00 -1.24 -4.74 107.32 99.99 1k85 s GLY 591 Ca 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 44.72 43.13 1k85 s GLY 591 CO 0.00 -1.66 -0.01 -0.19 0.00 0.00 0.00 173.10 171.23 1k85 s TYR 592 N -3.27 0.76 -0.23 1.90 1.51 -0.36 -2.45 117.35 115.21 1k85 s TYR 592 Ca 0.31 -0.23 -0.10 0.00 -1.01 0.00 0.00 57.07 56.04 1k85 s TYR 592 Cb 0.02 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1k85 s TYR 592 CO 0.22 -0.32 0.14 -0.51 -1.11 0.00 0.00 175.55 173.96 1k85 s ASP 593 N 1.77 6.00 -0.07 2.29 1.01 -0.26 -1.81 116.67 125.60 1k85 s ASP 593 Ca 0.02 0.11 -0.06 0.00 0.71 0.00 0.00 52.55 53.33 1k85 s ASP 593 Cb -0.13 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1k85 s ASP 593 CO -0.05 0.09 0.17 0.54 0.21 0.00 0.00 175.17 176.13 1k85 s VAL 594 N 0.88 5.46 0.11 -1.27 0.11 -1.12 -0.35 120.40 124.22 1k85 s VAL 594 Ca 0.07 0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 1k85 s VAL 594 Cb -0.13 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1k85 s VAL 594 CO 0.03 0.51 0.09 -0.31 -3.33 0.00 0.00 175.10 172.09 1k85 s TYR 595 N -1.14 3.15 -0.31 1.54 2.02 -0.32 -1.56 117.35 120.72 1k85 s TYR 595 Ca 0.20 0.03 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1k85 s TYR 595 Cb -0.12 -1.57 0.11 0.00 -0.40 0.00 0.00 41.96 39.98 1k85 s TYR 595 CO 0.10 0.52 0.17 1.21 -1.57 0.00 0.00 175.55 175.97 1k85 s ASN 596 N -2.63 3.20 -0.70 2.29 3.04 0.44 -1.99 114.94 118.59 1k85 s ASN 596 Ca 0.29 -1.49 -0.03 0.00 0.04 0.00 0.00 52.86 51.67 1k85 s ASN 596 Cb -0.11 -0.28 0.00 0.00 -1.54 0.00 0.00 41.25 39.32 1k85 s ASN 596 CO 0.22 -0.40 0.67 0.61 -3.04 0.00 0.00 177.10 175.16 1k85 n GLY 597 N 4.92 -1.23 2.65 1.21 0.00 -1.06 -2.60 105.19 109.09 1k85 n GLY 597 Ca -0.01 0.61 -0.11 0.00 0.00 0.00 0.00 46.02 46.52 1k85 n GLY 597 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 598 N -1.65 -0.46 -3.21 2.61 -2.24 -1.26 -4.88 114.28 103.18 1k85 n THR 598 Ca -0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1k85 n THR 598 Cb 0.53 -1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 67.51 1k85 n THR 598 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 599 N -2.49 -1.99 0.20 6.98 0.00 -1.07 -5.14 121.76 118.25 1k85 s ALA 599 Ca 0.08 1.65 -0.32 0.00 0.00 0.00 0.00 51.96 53.37 1k85 s ALA 599 Cb -0.04 -2.04 -0.14 0.00 0.00 0.00 0.00 23.12 20.89 1k85 s ALA 599 CO 0.10 -1.30 1.33 -0.11 0.00 0.00 0.00 175.76 175.78 1k85 n LEU 600 N 5.42 2.47 0.00 0.00 0.00 -1.26 -0.42 117.00 123.20 1k85 n LEU 600 Ca -0.02 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.13 1k85 n LEU 600 Cb 0.51 -1.34 0.00 0.00 0.00 0.00 0.00 43.42 42.59 1k85 n LEU 600 CO 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 177.39 176.64 1k85 n ALA 601 N 1.94 0.00 -2.08 1.96 0.00 -0.60 -4.75 120.51 116.98 1k85 n ALA 601 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 1k85 n ALA 601 Cb 0.28 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.76 1k85 n ALA 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1k85 s THR 602 N 0.94 3.15 -0.11 0.00 -1.32 -1.26 -4.98 115.64 112.07 1k85 s THR 602 Ca 0.00 -0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.02 1k85 s THR 602 Cb 0.00 -3.21 0.04 0.00 -1.51 0.00 0.00 72.50 67.81 1k85 s THR 602 CO 0.00 -0.17 0.01 -0.89 -2.21 0.00 0.00 174.62 171.36 1k85 s THR 603 N -2.82 0.41 0.14 5.08 2.01 -1.26 -2.81 115.64 116.39 1k85 s THR 603 Ca 0.55 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1k85 s THR 603 Cb -0.10 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1k85 s THR 603 CO 0.40 0.13 0.02 1.33 -0.69 0.00 0.00 174.62 175.82 1k85 n VAL 604 N 5.12 0.00 -0.89 3.82 0.24 -0.75 -5.01 118.33 120.86 1k85 n VAL 604 Ca -0.08 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1k85 n VAL 604 Cb 0.49 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1k85 n VAL 604 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1k85 n THR 605 N -0.45 0.00 0.00 3.34 -2.24 -1.26 -1.22 114.28 112.44 1k85 n THR 605 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1k85 n THR 605 Cb 0.17 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1k85 n THR 605 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k85 n GLY 606 N 0.00 0.63 0.00 3.38 0.00 -1.26 -4.53 105.19 103.41 1k85 n GLY 606 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k85 n GLY 606 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 607 N 0.00 0.00 -3.77 2.61 -2.24 -1.26 -4.80 114.28 104.82 1k85 n THR 607 Ca 0.00 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1k85 n THR 607 Cb 0.00 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 1k85 n THR 607 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k85 s THR 608 N -1.07 2.93 -0.18 4.28 -4.23 -1.26 -3.25 115.64 112.85 1k85 s THR 608 Ca 0.00 -1.43 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 1k85 s THR 608 Cb 0.00 -3.05 0.07 0.00 1.34 0.00 0.00 72.50 70.86 1k85 s THR 608 CO 0.00 -0.08 0.43 0.00 -0.54 0.00 0.00 174.62 174.44 1k85 s ALA 609 N -2.43 -1.14 -0.24 3.99 0.00 -0.70 -4.73 121.76 116.52 1k85 s ALA 609 Ca 0.44 1.60 -0.06 0.00 0.00 0.00 0.00 51.96 53.94 1k85 s ALA 609 Cb -0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 1k85 s ALA 609 CO 0.26 -0.36 0.03 0.99 0.00 0.00 0.00 175.76 176.68 1k85 s THR 610 N 1.64 3.90 -0.09 0.00 2.01 -1.26 -1.27 115.64 120.57 1k85 s THR 610 Ca -0.08 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1k85 s THR 610 Cb -0.09 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1k85 s THR 610 CO -0.13 0.35 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.49 1k85 s ILE 611 N 1.55 4.03 0.47 1.82 1.09 -0.80 -4.73 121.20 124.64 1k85 s ILE 611 Ca 0.06 -0.35 0.03 0.00 -1.10 0.00 0.00 60.65 59.29 1k85 s ILE 611 Cb -0.15 -2.69 -0.04 0.00 -1.06 0.00 0.00 42.46 38.52 1k85 s ILE 611 CO 0.01 0.58 0.02 -0.94 -0.10 0.00 0.00 174.94 174.51 1k85 s SER 612 N -0.64 3.88 -0.75 3.58 1.04 -1.26 -2.06 113.70 117.49 1k85 s SER 612 Ca 0.10 -1.56 -0.04 0.00 0.48 0.00 0.00 55.95 54.93 1k85 s SER 612 Cb -0.12 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1k85 s SER 612 CO 0.02 -0.73 0.66 0.61 0.98 0.00 0.00 173.24 174.78 1k85 n GLY 613 N -1.13 -0.69 2.92 7.32 0.00 -1.24 -4.98 105.19 107.38 1k85 n GLY 613 Ca -0.13 0.36 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1k85 n GLY 613 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k85 s LEU 614 N -4.59 1.26 0.26 0.99 1.43 -1.18 -5.09 118.68 111.76 1k85 s LEU 614 Ca 0.29 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 1k85 s LEU 614 Cb -0.04 -0.70 -0.09 0.00 0.03 0.00 0.00 46.19 45.39 1k85 s LEU 614 CO 0.55 -0.07 1.01 0.00 0.23 0.00 0.00 176.35 178.07 1k85 s ALA 615 N 1.29 3.36 0.83 4.21 0.00 -1.26 -4.14 121.76 126.04 1k85 s ALA 615 Ca -0.04 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1k85 s ALA 615 Cb -0.14 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1k85 s ALA 615 CO -0.03 0.04 1.09 0.00 0.00 0.00 0.00 175.76 176.87 1k85 s ALA 616 N -1.19 2.02 -1.37 0.00 0.00 -1.25 -3.97 121.76 115.99 1k85 s ALA 616 Ca 0.43 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 1k85 s ALA 616 Cb -0.28 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1k85 s ALA 616 CO 0.36 -1.93 0.95 -0.25 0.00 0.00 0.00 175.76 174.88 1k85 n ASP 617 N -3.58 -3.65 -3.98 0.00 9.92 -0.78 -4.99 116.55 109.49 1k85 n ASP 617 Ca 0.07 -0.71 -0.09 0.00 -0.53 0.00 0.00 54.79 53.53 1k85 n ASP 617 Cb 0.56 -4.39 -0.11 0.00 -0.64 0.00 0.00 41.12 36.53 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1k85 s THR 618 N -3.42 0.11 0.03 -3.53 2.01 -1.23 -4.99 115.64 104.61 1k85 s THR 618 Ca 0.35 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 61.22 1k85 s THR 618 Cb -0.17 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1k85 s THR 618 CO 0.79 -0.49 0.71 -0.44 -0.69 0.00 0.00 174.62 174.49 1k85 s SER 619 N -1.43 7.13 0.08 3.53 0.01 -1.26 -2.65 113.70 119.11 1k85 s SER 619 Ca -0.16 1.35 0.04 0.00 1.31 0.00 0.00 55.95 58.49 1k85 s SER 619 Cb -0.10 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1k85 s SER 619 CO -0.01 0.04 -0.11 -0.31 0.41 0.00 0.00 173.24 173.26 1k85 s TYR 620 N -0.09 1.05 -0.24 2.43 2.02 0.38 -5.01 117.35 117.89 1k85 s TYR 620 Ca 0.36 -0.57 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1k85 s TYR 620 Cb -0.20 -0.58 0.08 0.00 -0.40 0.00 0.00 41.96 40.86 1k85 s TYR 620 CO 0.21 0.01 0.10 0.99 -1.57 0.00 0.00 175.55 175.28 1k85 s THR 621 N -1.89 0.18 0.54 -0.71 2.01 -1.26 -0.42 115.64 114.08 1k85 s THR 621 Ca 0.01 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.44 1k85 s THR 621 Cb -0.06 -0.98 0.07 0.00 0.01 0.00 0.00 72.50 71.53 1k85 s THR 621 CO 0.01 -0.50 0.72 -0.36 -0.69 0.00 0.00 174.62 173.80 1k85 s PHE 622 N 1.99 1.75 -0.00 4.92 0.08 -0.92 -2.56 117.98 123.24 1k85 s PHE 622 Ca 0.05 -0.65 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 1k85 s PHE 622 Cb -0.16 -2.23 0.11 0.00 -0.57 0.00 0.00 43.02 40.16 1k85 s PHE 622 CO -0.22 -0.95 1.21 0.95 -0.10 0.00 0.00 175.22 176.12 1k85 s THR 623 N -2.60 0.00 0.08 0.64 -4.23 -0.84 -2.49 115.64 106.20 1k85 s THR 623 Ca 0.59 -0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.87 1k85 s THR 623 Cb -0.06 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 1k85 s THR 623 CO 0.37 0.00 -0.13 0.68 -0.54 0.00 0.00 174.62 175.00 1k85 s VAL 624 N -2.59 1.08 -0.04 2.29 -7.23 -1.26 -1.18 120.40 111.46 1k85 s VAL 624 Ca 0.13 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1k85 s VAL 624 Cb 0.03 -1.14 0.03 0.00 0.56 0.00 0.00 36.38 35.86 1k85 s VAL 624 CO -0.03 -0.31 0.07 -0.54 -0.31 0.00 0.00 175.10 173.99 1k85 s LYS 625 N -2.00 -0.04 0.07 4.82 -0.14 0.53 -1.29 119.74 121.69 1k85 s LYS 625 Ca -0.00 0.36 -0.30 0.00 -1.36 0.00 0.00 55.97 54.67 1k85 s LYS 625 Cb -0.08 -0.39 -0.05 0.00 -1.68 0.00 0.00 37.83 35.63 1k85 s LYS 625 CO 0.02 -0.27 0.99 0.00 -0.76 0.00 0.00 175.35 175.32 1k85 s ALA 626 N 1.84 3.23 0.05 5.17 0.00 -1.26 -1.10 121.76 129.70 1k85 s ALA 626 Ca 0.00 0.59 0.09 0.00 0.00 0.00 0.00 51.96 52.65 1k85 s ALA 626 Cb -0.12 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1k85 s ALA 626 CO -0.04 -0.13 -0.26 -1.59 0.00 0.00 0.00 175.76 173.74 1k85 s LYS 627 N 0.38 1.76 0.37 0.00 0.00 -1.03 -1.24 119.74 119.97 1k85 s LYS 627 Ca 0.49 -1.14 0.08 0.00 0.00 0.00 0.00 55.97 55.40 1k85 s LYS 627 Cb -0.23 -1.97 -0.03 0.00 0.00 0.00 0.00 37.83 35.60 1k85 s LYS 627 CO 0.30 0.51 0.29 -0.51 0.00 0.00 0.00 175.35 175.93 1k85 s ASP 628 N -1.33 5.08 -0.23 0.03 1.11 -0.26 -2.47 116.67 118.60 1k85 s ASP 628 Ca 0.12 -0.64 0.00 0.00 0.18 0.00 0.00 52.55 52.21 1k85 s ASP 628 Cb -0.10 -0.79 0.23 0.00 1.07 0.00 0.00 42.92 43.34 1k85 s ASP 628 CO 0.03 -0.45 1.68 0.00 1.18 0.00 0.00 175.17 177.60 1k85 n ALA 629 N -1.39 4.33 -1.01 5.23 0.00 -0.93 -3.45 120.51 123.30 1k85 n ALA 629 Ca -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1k85 n ALA 629 Cb 0.61 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1k85 n ALA 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k85 n ALA 630 N 0.14 0.47 -0.97 0.00 0.00 -1.26 -5.01 120.51 113.88 1k85 n ALA 630 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1k85 n ALA 630 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1k85 n ALA 630 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k85 n GLY 631 N 0.00 0.85 3.29 0.00 0.00 -1.22 -5.06 105.19 103.05 1k85 n GLY 631 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1k85 n GLY 631 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k85 s ASN 632 N -2.61 3.88 -0.08 1.61 -0.87 -1.26 -4.88 114.94 110.73 1k85 s ASN 632 Ca 0.00 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 50.90 1k85 s ASN 632 Cb 0.00 -1.62 -0.02 0.00 -0.02 0.00 0.00 41.25 39.60 1k85 s ASN 632 CO 0.00 0.07 -0.18 0.54 -2.57 0.00 0.00 177.10 174.96 1k85 s VAL 633 N 0.91 2.66 0.00 1.60 0.11 -1.26 -1.11 120.40 123.31 1k85 s VAL 633 Ca -0.03 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1k85 s VAL 633 Cb -0.15 -2.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 1k85 s VAL 633 CO -0.01 0.56 0.00 -1.54 -3.33 0.00 0.00 175.10 170.78 1k85 n SER 634 N 2.99 -0.19 -4.77 3.54 3.41 -0.37 -4.67 113.62 113.57 1k85 n SER 634 Ca -0.18 -0.52 -0.25 0.00 -0.26 0.00 0.00 58.87 57.67 1k85 n SER 634 Cb 0.52 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k85 s ALA 635 N -3.69 3.30 0.01 7.33 0.00 -1.26 -4.76 121.76 122.68 1k85 s ALA 635 Ca 0.00 -1.24 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 1k85 s ALA 635 Cb 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 1k85 s ALA 635 CO 0.00 -1.40 0.69 0.00 0.00 0.00 0.00 175.76 175.06 1k85 s ALA 636 N -3.22 3.40 1.38 0.00 0.00 -1.26 -4.36 121.76 117.69 1k85 s ALA 636 Ca 0.63 0.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.54 1k85 s ALA 636 Cb -0.08 -2.90 0.35 0.00 0.00 0.00 0.00 23.12 20.49 1k85 s ALA 636 CO 0.45 0.07 0.97 0.45 0.00 0.00 0.00 175.76 177.70 1k85 s SER 637 N 0.05 -0.67 0.61 0.00 0.15 -0.41 -4.93 113.70 108.49 1k85 s SER 637 Ca 0.36 0.78 -0.19 0.00 0.70 0.00 0.00 55.95 57.60 1k85 s SER 637 Cb -0.19 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.99 1k85 s SER 637 CO 0.20 -5.11 1.11 -3.20 1.20 0.00 0.00 173.24 167.43 1k85 n ASN 638 N -5.45 1.38 -4.71 5.45 4.05 -1.26 -4.70 115.26 110.02 1k85 n ASN 638 Ca 0.13 0.84 -0.42 0.00 0.45 0.00 0.00 54.58 55.58 1k85 n ASN 638 Cb 0.60 -1.46 -0.03 0.00 1.23 0.00 0.00 39.78 40.12 1k85 n ASN 638 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1k85 s ALA 639 N -1.44 3.23 -0.07 5.20 0.00 -1.26 -4.69 121.76 122.72 1k85 s ALA 639 Ca 0.77 0.52 -0.00 0.00 0.00 0.00 0.00 51.96 53.25 1k85 s ALA 639 Cb -0.41 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 1k85 s ALA 639 CO 0.45 -0.32 -0.02 0.54 0.00 0.00 0.00 175.76 176.40 1k85 s VAL 640 N 1.23 4.06 -0.44 0.00 0.11 -1.04 -5.00 120.40 119.33 1k85 s VAL 640 Ca 0.52 -0.39 -0.09 0.00 -2.93 0.00 0.00 61.98 59.08 1k85 s VAL 640 Cb -0.21 -2.71 0.10 0.00 -1.53 0.00 0.00 36.38 32.03 1k85 s VAL 640 CO 0.26 0.57 0.30 -0.94 -3.33 0.00 0.00 175.10 171.96 1k85 s SER 641 N -0.96 5.68 -0.35 3.54 1.04 -1.26 -2.17 113.70 119.21 1k85 s SER 641 Ca 0.14 -1.67 -0.14 0.00 0.48 0.00 0.00 55.95 54.76 1k85 s SER 641 Cb -0.11 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 1k85 s SER 641 CO 0.03 -0.61 0.28 -0.69 0.98 0.00 0.00 173.24 173.24 1k85 s VAL 642 N 1.41 5.25 -0.46 5.02 1.01 0.44 -4.94 120.40 128.12 1k85 s VAL 642 Ca 0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1k85 s VAL 642 Cb -0.24 -3.78 0.11 0.00 0.00 0.00 0.00 36.38 32.46 1k85 s VAL 642 CO 0.01 -0.09 0.32 -0.75 0.00 0.00 0.00 175.10 174.59 1k85 s LYS 643 N 1.79 2.48 0.00 2.72 2.20 -1.26 -0.47 119.74 127.21 1k85 s LYS 643 Ca 0.07 -1.70 0.30 0.00 -0.36 0.00 0.00 55.97 54.28 1k85 s LYS 643 Cb -0.17 -3.88 1.55 0.00 -1.51 0.00 0.00 37.83 33.82 1k85 s LYS 643 CO 0.11 -1.14 2.03 0.25 -0.36 0.00 0.00 175.35 176.24